ethyl methyl bromomalonate | 93612-48-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl methyl bromomalonate
• 英文别名: Propanedioic acid, bromo-, ethyl methyl ester；1-O-ethyl 3-O-methyl 2-bromopropanedioate
• CAS: 93612-48-7
• 化学式: C₆H₉BrO₄
• 分子量: 225.039
• InChiKey: OGGYASKKLGSDRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  204.4±20.0 °C(Predicted)
• 密度：
  1.519±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  potassium thioacyanate 、 ethyl methyl bromomalonate 在 resorcin[4]arene cavitand glycoconjugate 作用下， 以 水 为溶剂， 反应 0.42h， 生成
  参考文献：
  名称：

  使用可回收和可再利用的糖基间苯二酚[4]芳烃Cavitands在水中进行硫氰化和2-氨基-1,3-噻唑的形成。

  摘要：

  三种空间定向间苯二酚[4]芳烃cavitand糖共轭物（RCGs）系列已被用作高效可回收和可重复使用的反相转移催化剂，用于生态和环境友好的硫氰化和2-氨基-1,3-噻唑在水中的形成反应。结果表明，在不使用任何共有机溶剂的情况下，RCG（1摩尔％）能够在水中容纳和催化各种水不溶性溴/硫氰酸根基质。在使用DCM或乙酸乙酯对所需产物进行简单萃取后，再对回收的含有HCG催化剂的水溶液进行处理，还检查了RCG催化体系RCG1和RCG3的可回收性和可重复使用性。RCG催化剂进入下一个反应周期。

  DOI：

  10.1021/acs.joc.0c01150
• 作为产物：
  描述：

  ethyl methyl malonate 在 溴 作用下， 以 四氯化碳 为溶剂， 反应 0.5h， 以12.1 g的产率得到ethyl methyl bromomalonate
  参考文献：
  名称：

  Electron ionization and chemical ionization mass spectra of pyridinium and isoquinolinium ylides

  摘要：

  AbstractElectron ionization (EI) spectra and both positive and negative chemical ionization (CI) spectra have been obtained for four isoquinolinium ylides and two pyridinium ylides. Electron transfer reactions dominate the CI mass specra. The base peak in negative chemical ionization is the [M]−· ion, formed by electron capture. In the positive methane CI spectra the molecular ion, [M]+·, is relatively more intense than [MH]+ showing electron transfer to be the main positive ionization process. In the positive ammonia CI spectra, proton transfer to give [MH]+ is the main ionization process, but electron transfer is also observed. The EI spectra show fragmentations in which the aromatic nitrogen moiety retains the charge and fragmentation is by loss of radicals or small neutral molecules from the side‐chains. Radical driven reactions are proposed to explain these spectra.

  DOI：

  10.1002/oms.1210190605

文献信息

• Thiocyanation and 2-Amino-1,3-thiazole Formation in Water Using Recoverable and Reusable Glycosylated Resorcin[4]arene Cavitands
  作者：Ali A. Husain、Kirpal S. Bisht

  DOI：10.1021/acs.joc.0c01150

  日期：2020.8.7

  resorcin[4]arene cavitand glycoconjugates (RCGs) have been applied as efficient recoverable and reusable inverse phase transfer catalysts for eco- and environmentally friendly thiocyanation and 2-amino-1,3-thiazole formation reactions in water. The results show that RCGs (1 mol %) were capable of hosting and catalyzing various water-insoluble bromo/thiocyanato substrates in water without the use of any co-organic

  三种空间定向间苯二酚[4]芳烃cavitand糖共轭物（RCGs）系列已被用作高效可回收和可重复使用的反相转移催化剂，用于生态和环境友好的硫氰化和2-氨基-1,3-噻唑在水中的形成反应。结果表明，在不使用任何共有机溶剂的情况下，RCG（1摩尔％）能够在水中容纳和催化各种水不溶性溴/硫氰酸根基质。在使用DCM或乙酸乙酯对所需产物进行简单萃取后，再对回收的含有HCG催化剂的水溶液进行处理，还检查了RCG催化体系RCG1和RCG3的可回收性和可重复使用性。RCG催化剂进入下一个反应周期。
• Electron ionization and chemical ionization mass spectra of pyridinium and isoquinolinium ylides
  作者：D. V. Bowen、P. W. Skett、J. Thorpe、A. O. Plunkett

  DOI：10.1002/oms.1210190605

  日期：1984.6

  AbstractElectron ionization (EI) spectra and both positive and negative chemical ionization (CI) spectra have been obtained for four isoquinolinium ylides and two pyridinium ylides. Electron transfer reactions dominate the CI mass specra. The base peak in negative chemical ionization is the [M]−· ion, formed by electron capture. In the positive methane CI spectra the molecular ion, [M]+·, is relatively more intense than [MH]+ showing electron transfer to be the main positive ionization process. In the positive ammonia CI spectra, proton transfer to give [MH]+ is the main ionization process, but electron transfer is also observed. The EI spectra show fragmentations in which the aromatic nitrogen moiety retains the charge and fragmentation is by loss of radicals or small neutral molecules from the side‐chains. Radical driven reactions are proposed to explain these spectra.